methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate

C12H12N4O5 — CID 154840948

IUPACmethyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCn3c(n[nH]c3=O)C2)o1
InChIInChI=1S/C12H12N4O5/c1-20-11(18)8-3-2-7(21-8)10(17)15-4-5-16-9(6-15)13-14-12(16)19/h2-3H,4-6H2,1H3,(H,14,19)
InChIKeyRGRGUTCCSWXSNN-UHFFFAOYSA-N
MW292.25 g/mol
LogP-0.39
Rot. Bonds2

About methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate

methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate (PubChem CID 154840948) has the molecular formula C12H12N4O5 and a molecular weight of 292.25 g/mol. Its IUPAC name is methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate
PubChem CID154840948
Molecular FormulaC12H12N4O5
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Namemethyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCn3c(n[nH]c3=O)C2)o1
InChIInChI=1S/C12H12N4O5/c1-20-11(18)8-3-2-7(21-8)10(17)15-4-5-16-9(6-15)13-14-12(16)19/h2-3H,4-6H2,1H3,(H,14,19)
InChIKeyRGRGUTCCSWXSNN-UHFFFAOYSA-N
XLogP-0.39
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate with MolForge

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Related Compounds

7-(2-methylpropanoyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 172548506
7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 136564870
7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 127994318
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate
CID 120996909
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
[5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956759
(5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64576397
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
methyl 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 78877473
(5-methoxycarbonylfuran-2-yl)methanetriolate
CID 59286378

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate (CID 154840948) is methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate is COC(=O)c1ccc(C(=O)N2CCn3c(n[nH]c3=O)C2)o1.
What is the InChIKey of methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate?
The InChIKey is RGRGUTCCSWXSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O5/c1-20-11(18)8-3-2-7(21-8)10(17)15-4-5-16-9(6-15)13-14-12(16)19/h2-3H,4-6H2,1H3,(H,14,19).
What are the key properties of methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate?
methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate has a molecular weight of 292.25 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate is sourced from PubChem (CID 154840948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).